Geometry & MOs

Info

ID:	339249
PubChem CID:	127260628
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	232.04628
ΔH_f, kcal/mol:	-63.2
Dipole, Da:	3.23
IP(EA), eV:	-9.76(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-(3-bromopropyl)-3-methylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)/C=C\1/CCCCC1=O

DOS

IR

Vibrations